Similar repositories to Fischer19/Junction_Tree_VAE_Bayesian_Optimization:
Fischer19/Junction_Tree_VAE_Bayesian_Optimization
github
similar
keiradams/SQUID
github
similar
igashov/DiffLinker
github
similar
mixarcid/molucinate
github
similar
capoe/libpqr
github
similar
jacquesboitreaud/OptiMol
github
similar
ACE-KAIST/PIGNet
github
similar
katritchlab/V-SYNTHES
github
similar
MolecularAI/Icolos
github
similar
wenhao-gao/SynNet
github
similar
isayevlab/Auto3D_pkg
github
similar
Kohulan/DECIMER-Image-to-SMILES
github
similar
connorcoley/scscore
github
similar
aiqm/aimnet
github
similar
MolecularAI/DockStream
github
similar
PatWalters/useful_rdkit_utils
github
similar
pengxingang/Pocket2Mol
github
similar
luost26/3D-Generative-SBDD
github
similar
OptiMaL-PSE-Lab/DeepDock
github
similar
mattragoza/liGAN
github
similar
rdkit/mmpdb
github
similar
connorcoley/rexgen_direct
github
similar
DrrDom/crem
github
similar
FreyrS/dMaSIF
github
similar
drorlab/atom3d
github
similar
rampasek/GraphGPS
github
similar
pcko1/Deep-Drug-Coder
github
similar
Acellera/moleculekit
github
similar
arneschneuing/DiffSBDD
github
similar
bp-kelley/descriptastorus
github
similar
lukasturcani/stk
github
similar
EBjerrum/SMILES-enumeration
github
similar
dptech-corp/Uni-Mol
github
similar
isayev/ReLeaSE
github
similar
microsoft/constrained-graph-variational-autoencoder
github
similar
nicola-decao/MolGAN
github
similar
gasteigerjo/dimenet
github
similar
pschwllr/MolecularTransformer
github
similar
chemosim-lab/ProLIF
github
similar
wengong-jin/hgraph2graph
github
similar